SCHEMBL2875975

SCHEMBL2875975

CCCCNc1cc(C(=O)OCCCC)cc(S)c1Nc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ SCN5A Q14524 2/20 0.45
▸ MAOA P21397 1/20 0.45
▸ CNR1 P21554 1/20 0.45
▸ DRD4 P21917 1/20 0.45
▸ ACHE P22303 1/20 0.45
▸ HRH2 P25021 1/20 0.45
▸ HTR2A P28223 1/20 0.45
▸ HTR2C P28335 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ NTSR1 P30989 1/20 0.45
▸ HRH1 P35367 1/20 0.45
▸ DRD3 P35462 1/20 0.45
▸ SCN1A P35498 1/20 0.45
▸ HTR2B P41595 1/20 0.45
▸ SCN7A Q01118 1/20 0.45
▸ SLC6A3 Q01959 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ SCN9A Q15858 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2875980 0.87 ALDH1A1 (0.47) LMNAHPGDKDM4EBLMTSHR
SCHEMBL16577863 0.85 HPGD (0.45) LMNACYP1A2SCN5AMAOACNR1
SCHEMBL11853823 0.84 HPGD (0.54) LMNACYP1A2SCN5ARAB9AHPGD
SCHEMBL10281844 0.81 CNR2 (0.43) LMNACYP1A2SCN5AMAOACNR1
SCHEMBL2879535 0.81 LMNA (0.55) LMNACYP1A2SCN5AMAOACNR1
SCHEMBL2876133 0.78 ESR1 (0.48) LMNACYP1A2SCN5AMAOACNR1
SCHEMBL21018930 0.74 ALDH1A1 (0.48) LMNAHPGDKDM4EBLMTSHR
SCHEMBL18993150 0.72 CNR2 (0.54) LMNACYP1A2SCN5AMAOACNR1
SCHEMBL29143435 0.72 LMNA (0.77) LMNACYP1A2SCN5AMAOACNR1
SCHEMBL16577854 0.71 ALDH1A1 (0.46) LMNAHPGDKDM4EBLMTSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170246131-A1 BUMETANIDE ANALOGS, COMPOSITIONS, AND METHODS OF USE NEUROPRO THERAPEUTICS INC (US) 2017-08-31 — — US disclosed
US-20120004225-A1 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE NEUROTHERAPEUTICS PHARMA, INC. (US) 2012-01-05 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170246131-A1 BUMETANIDE ANALOGS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 LMNA 3992/4885CYP1A2 936/4885SCN5A 306/4885
US-20120004225-A1 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE ABCG2, ABCB1, TRPV1 LMNA 3023/4885CYP1A2 1753/4885SCN5A 421/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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